3,4-Dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide

Base Information

• Chemical Name: 3,4-Dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide
• CAS No.: 1077-61-8
• Molecular Formula: C10H12 O2 S
• Molecular Weight: 196.27
• Hs Code.: 2932999099
• European Community (EC) Number: 214-075-4
• UNII: Y9FUH2X9X2
• DSSTox Substance ID: DTXSID20148211
• Nikkaji Number: J25.394D
• Wikidata: Q83013695
• Mol file: 1077-61-8.mol

Synonyms:3,4-Dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide;1077-61-8;6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;EINECS 214-075-4;6-methylthiochromane 1,1-dioxide;Y9FUH2X9X2;SCHEMBL13776031;DTXSID20148211;2H-1-Benzothiopyran, 3,4-dihydro-6-methyl-, 1,1-dioxide

Chemical Property of 3,4-Dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide

Chemical Property:

• Vapor Pressure: 1.51E-05mmHg at 25°C
• Boiling Point: 377°Cat760mmHg
• Flash Point: 232.7°C
• PSA: 42.52000
• Density: 1.233g/cm³
• LogP: 2.79570
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.05580079
• Heavy Atom Count: 13
• Complexity: 276

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)S(=O)(=O)CCC2

Technology Process of 3,4-Dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide

There total 3 articles about 3,4-Dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

γ-chloropropyl 4-methylphenyl sulphide (3147-30-6) → 6-methylthiochroman-S,S-dioxide (1077-61-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / AlCl₃ / CS₂ / 3 h / Heating

2: H₂O₂ / acetic acid

With dihydrogen peroxide; aluminium trichloride; In carbon disulfide; acetic acid;

Reference yield:

6-Methyl-3,4-dihydro-2H-1-benzothiopyran (71153-74-7) → 6-methylthiochroman-S,S-dioxide (1077-61-8)

Guidance literature:

With permanganate(VII) ion;

Reference yield:

→ 6-methylthiochroman-S,S-dioxide (1077-61-8)

Guidance literature:

6-Methylthiochroman-4-on 1,1-dioxid, HClO4 / HOAc, Hydrierung ueber Pd/C;

upstream raw materials:

6-Methyl-3,4-dihydro-2H-1-benzothiopyran

γ-chloropropyl 4-methylphenyl sulphide